CAS号:15486-33-6-山奈酚-4',7-二甲醚 - 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one-科华智慧

1. 主信息

英文名:	3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
中文名:	山奈酚-4',7-二甲醚
CAS编号:	15486-33-6
化学分子式：	C₁₇H₁₄O₆
化学分子量：	314.29 g/mol
SMILES：	COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O
来源：	-
结构类型：	N/A
其它名称或标识：	4',7-dimethylkaempferol

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	5mg	HPLC≥98%	1600	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 37 39 0 0 0 0 0 0 0999 V2000 -0.2811 0.6519 0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -2.8118 0.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6297 2.5526 -0.0256 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -2.1758 -0.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 -3.1346 -0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0071 0.8997 0.2708 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2113 -0.8164 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6363 0.4514 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -0.4556 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9814 -0.0999 0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3329 -1.9961 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1252 -1.7310 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6001 -0.9599 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 1.5861 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8354 1.4471 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 0.1765 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 0.0896 -1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6149 0.0470 1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0544 0.4255 -1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9676 0.3830 1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6874 0.5723 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9775 3.8203 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6825 1.0782 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9442 2.5463 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4919 0.0737 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 -0.0213 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0671 -0.0972 2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 0.5577 -1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4554 0.4959 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8997 -2.5039 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 -2.8880 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4148 3.9444 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7598 4.5864 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3574 3.9923 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 1.9166 -1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7035 0.1512 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7219 1.3345 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 12 1 0 0 0 0 2 30 1 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 11 2 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3

4.3 InChlKey

KZBAXKKOXPLOBX-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.19615 1 0 0
M  V30 2 O 4.33013 1.5 0 0
M  V30 3 C 3.4641 1 0 0
M  V30 4 C 3.4641 -4.44089e-16 0 0
M  V30 5 C 2.59808 -0.5 0 0
M  V30 6 C 1.73205 -5.55112e-16 0 0
M  V30 7 C 1.73205 1 0 0
M  V30 8 C 2.59808 1.5 0 0
M  V30 9 C 0.866025 -0.5 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 C 6.66134e-16 -2 0 0
M  V30 12 O 2.22045e-15 -3 0 0
M  V30 13 C -0.866025 -1.5 0 0
M  V30 14 C -1.73205 -2 0 0
M  V30 15 C -2.59808 -1.5 0 0
M  V30 16 C -2.59808 -0.5 0 0
M  V30 17 C -1.73205 3.33067e-15 0 0
M  V30 18 C -0.866025 -0.5 0 0
M  V30 19 O -0 -0 0 0
M  V30 20 O -3.4641 4.88498e-15 0 0
M  V30 21 C -4.33013 -0.5 0 0
M  V30 22 O -1.73205 -3 0 0
M  V30 23 O 1.73205 -2 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 1 6 9
M  V30 9 2 7 8
M  V30 10 1 9 19
M  V30 11 2 9 10
M  V30 12 1 10 11
M  V30 13 1 10 23
M  V30 14 2 11 12
M  V30 15 1 11 13
M  V30 16 1 13 18
M  V30 17 2 13 14
M  V30 18 1 14 15
M  V30 19 1 14 22
M  V30 20 2 15 16
M  V30 21 1 16 17
M  V30 22 1 16 20
M  V30 23 2 17 18
M  V30 24 1 18 19
M  V30 25 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
柽柳	Chinese Tamarisk Equivalent plant: Tamarix ramosis	Tamarix chinensis
广藿香	Pogostemon Cablin (Blanco) Benth.	-
西河柳	Chinese Tamarisk Twig	Cacumen Tamaricis

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型